N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

C16H14FN3S — CID 3264621

IUPACN-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(Cc2nsc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C16H14FN3S/c17-14-8-6-12(7-9-14)10-15-19-16(21-20-15)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19,20)
InChIKeyBRDIKEPFEFYKJF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.88
Rot. Bonds5

About N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine

N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 3264621) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID3264621
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC NameN-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(Cc2nsc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C16H14FN3S/c17-14-8-6-12(7-9-14)10-15-19-16(21-20-15)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19,20)
InChIKeyBRDIKEPFEFYKJF-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
3,5-Bis(4-fluorophenyl)-1,2,4-thiadiazole
CID 46834487
5-(2-Fluorophenyl)-3-phenyl-1,2,4-thiadiazole
CID 71454338
3,5-Bis(3-fluorophenyl)-1,2,4-thiadiazole
CID 57393684
N-[2-(4-chlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975265
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 70975277
N-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975288
3,5-Bis(2-fluorophenyl)-1,2,4-thiadiazole
CID 56837845
3-(2-Fluorophenyl)-5-phenyl-1,2,4-thiadiazole
CID 71461519
3-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 3920694
3-[(4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 8065271
N-[1-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 70975023

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 3264621) is N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(Cc2nsc(NCc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is BRDIKEPFEFYKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c17-14-8-6-12(7-9-14)10-15-19-16(21-20-15)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19,20).
What are the key properties of N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 299.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 3264621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).